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	hartrees
Energy at 0K	-3469.495681
Energy at 298.15K
HF Energy	-3469.495681
Nuclear repulsion energy	592.654556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	1097	1097	159.78	4.77	0.39	0.56
2	A	796	796	201.17	7.53	0.41	0.59
3	A	720	720	220.11	13.72	0.62	0.76
4	A	462	462	0.50	8.12	0.02	0.05
5	A	332	332	0.16	3.17	0.39	0.56
6	A	280	280	0.14	2.76	0.72	0.84
7	A	248	248	0.28	7.65	0.15	0.26
8	A	179	179	0.05	3.09	0.61	0.75
9	A	135	135	0.08	2.85	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.434	0.483	0.349
F2	0.523	0.698	1.664
Cl3	0.713	1.999	-0.487
Br4	1.785	-0.819	-0.141
I5	-1.545	-0.274	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3357	1.7537	1.9397	2.1602
F2	1.3357		2.5215	2.6745	2.8703
Cl3	1.7537	2.5215		3.0353	3.2305
Br4	1.9397	2.6745	3.0353		3.3754
I5	2.1602	2.8703	3.2305	3.3754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.655	F2	C1	Br4	108.059
F2	C1	I5	108.054	Cl3	C1	Br4	110.433
Cl3	C1	I5	110.828	Br4	C1	I5	110.715

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.137
2	F	-0.106
3	Cl	-0.025
4	Br	-0.025
5	I	0.019

	x	y	z	Total
	-0.345	-0.163	-0.442	0.584
CHELPG
AIM
ESP

	x	y	z
x	13.920	0.219	-0.080
y	0.219	11.283	-0.242
z	-0.080	-0.242	8.387

<r²>	354.792
(<r²>)^1/2	18.836